>compound gamma-Tocotrienol_gamma-Tocotrienol
#instrument UPLC Q-Tof Premier, Waters
>formula C28H42O2
#smiles C(=CCCC(C2)(C)Oc(c(C2)1)c(C)c(C)c(O)c1)(C)CCC=C(C)CCC=C(C)C
#RECORD LC-ESI-QTOF_train_data/PR100478.txt
>charge 1
>ionization [M+H]+
>parentmass 411.32626

>collision 5-60
99.4891 6.166
100.487 3.511
121.0371 5.64
410.0829 14.1
411.0013 33.34
411.0768 35.52

